5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

C23H22FN9 — CID 137135311

IUPAC5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
SMILESCN1CCN(c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N)c6)c(F)c45)[nH]c23)CC1
InChIInChI=1S/C23H22FN9/c1-32-6-8-33(9-7-32)17-4-5-27-22-20(17)28-23(29-22)21-18-16(30-31-21)3-2-15(19(18)24)13-10-14(25)12-26-11-13/h2-5,10-12H,6-9,25H2,1H3,(H,30,31)(H,27,28,29)
InChIKeyNYAXIUHNSWNKNO-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.04
Rot. Bonds3

About 5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137135311) has the molecular formula C23H22FN9 and a molecular weight of 443.49 g/mol. Its IUPAC name is 5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
PubChem CID137135311
Molecular FormulaC23H22FN9
Molecular Weight443.49 g/mol
Exact Mass443.20
IUPAC Name5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
SMILESCN1CCN(c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N)c6)c(F)c45)[nH]c23)CC1
InChIInChI=1S/C23H22FN9/c1-32-6-8-33(9-7-32)17-4-5-27-22-20(17)28-23(29-22)21-18-16(30-31-21)3-2-15(19(18)24)13-10-14(25)12-26-11-13/h2-5,10-12H,6-9,25H2,1H3,(H,30,31)(H,27,28,29)
InChIKeyNYAXIUHNSWNKNO-UHFFFAOYSA-N
XLogP3.04
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 137102168
1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone
CID 137135493
5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 137056460
N-[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137135516
1-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137102026
5-[4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 136936652
1-[6-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137042626
2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
CID 136936554
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
CID 136937844
5-[6-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137134829
2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
CID 137135196
3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137102128

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of 5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (CID 137135311) is 5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is CN1CCN(c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N)c6)c(F)c45)[nH]c23)CC1.
What is the InChIKey of 5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The InChIKey is NYAXIUHNSWNKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN9/c1-32-6-8-33(9-7-32)17-4-5-27-22-20(17)28-23(29-22)21-18-16(30-31-21)3-2-15(19(18)24)13-10-14(25)12-26-11-13/h2-5,10-12H,6-9,25H2,1H3,(H,30,31)(H,27,28,29).
What are the key properties of 5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 443.49 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137135311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).